N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide

C14H21BrN2O2 — CID 106175410

IUPACN-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
SMILESCCC(C)(CCO)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-3-14(2,7-8-18)16-10-13(19)17-12-6-4-5-11(15)9-12/h4-6,9,16,18H,3,7-8,10H2,1-2H3,(H,17,19)
InChIKeyXBDABROMYKCFFW-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.53
Rot. Bonds7

About N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide

N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide (PubChem CID 106175410) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
PubChem CID106175410
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
SMILESCCC(C)(CCO)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-3-14(2,7-8-18)16-10-13(19)17-12-6-4-5-11(15)9-12/h4-6,9,16,18H,3,7-8,10H2,1-2H3,(H,17,19)
InChIKeyXBDABROMYKCFFW-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865329
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572652
2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
CID 79788912
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide (CID 106175410) is N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide is CCC(C)(CCO)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide?
The InChIKey is XBDABROMYKCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-14(2,7-8-18)16-10-13(19)17-12-6-4-5-11(15)9-12/h4-6,9,16,18H,3,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide?
N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide is sourced from PubChem (CID 106175410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).